SCHEMBL28031035

SCHEMBL28031035

CC(CSc1ccc(N)cc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
AGTR1 P30556 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SERPINH1 P50454 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.38
RAB9A P51151 2/20 0.37
PDE7A Q13946 5/20 0.36
NPC1 O15118 1/20 0.35
PDE7B Q9NP56 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28032991 0.81 BACE1 (0.42) MAPTALDH1A1HSP90AA1MAOAMAOB
SCHEMBL8260518 0.75 MAOA (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7354321 0.73 MAOA (0.43) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL31219939 0.72 MAOA (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL23106578 0.71 MAOA (0.44) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL7354327 0.69 MAOA (0.43) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL27183235 0.69 TDP1 (0.47) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL24398823 0.68 MAOA (0.42) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL7075420 0.68 MTNR1A (0.41) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL4087041 0.66 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945292-B Process for preparing 4-propylthio-o-phenylenediamine 济南大学 2017-04-19 CN disclosed
CN-104945292-A Process for preparing 4-propylthio-o-phenylenediamine UNIV JINAN 2015-09-30 CN disclosed